Molecule

ID:12746

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClO₄
Molecular Mass
278.68774
Exact Mass
278.03458651
Charge
0
InChI
InChI=1S/C14H11ClO4/c1-2-18-14(17)10-5-3-9(4-6-10)11-7-8-12(19-11)13(15)16/h3-8H,2H2,1H3
InChIKey
OPOPFTSILPZGEL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)c1ccc(o1)C(=O)Cl
Isomeric Smiles
c1cc(oc1C(=O)Cl)c1ccc(cc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1519165
LogD (pH = 7.4)
3.1519165
Log P
3.1519165
Molar Refractivity
71.3512
Polarizability
28.181282
Polar Surface Area
56.51
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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